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Re: [ESPResSo-users] FENE+LJ bond

From: Sebastian Bindgen
Subject: Re: [ESPResSo-users] FENE+LJ bond
Date: Tue, 21 May 2019 09:55:34 +0200


You are mixing two things here. 

As I recall from your last mail you want to model polymer chain. Thus, you need to model two things: 

(1) The unbounded potential between monomers via the LJ/WCA interaction. 
(2) Bonds between these monomers. These bonds are only adding an interaction between two monomers in a linear chain. The other monomers are not effected by them. 

The way you added the two potentials is not very reasonable.

Please refer to: for detailed instructions and parameters.


On 21 May 2019, at 04:51, address@hidden wrote:

Dear all,

If I want to use the FENE+LJ bond potential which has the following form:
and the cutoff is always 2^(1/6)*sigma. How should I do? Should I write it on my own?

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